ethyl 7-[3-[[5-[(4-propylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C30H28N4O5 — CID 19454653

About ethyl 7-[3-[[5-[(4-propylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 7-[3-[[5-[(4-propylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 19454653) has the molecular formula C30H28N4O5 and a molecular weight of 524.58 g/mol. Its IUPAC name is ethyl 7-[3-[[5-[(4-propylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 7-[3-[[5-[(4-propylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
• PubChem CID: 19454653
• Molecular Formula: C30H28N4O5
• Molecular Weight: 524.58 g/mol
• Exact Mass: 524.21
• IUPAC Name: ethyl 7-[3-[[5-[(4-propylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
• SMILES: CCCc1ccc(OCc2ccc(C(=O)Nc3cccc(-c4ccnc5c(C(=O)OCC)cnn45)c3)o2)cc1
• InChI: InChI=1S/C30H28N4O5/c1-3-6-20-9-11-23(12-10-20)38-19-24-13-14-27(39-24)29(35)33-22-8-5-7-21(17-22)26-15-16-31-28-25(18-32-34(26)28)30(36)37-4-2/h5,7-18H,3-4,6,19H2,1-2H3,(H,33,35)
• InChIKey: LQRCDKWMZDLUSP-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 107.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.58
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[3-[[5-[(4-propylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The IUPAC name of ethyl 7-[3-[[5-[(4-propylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 19454653) is ethyl 7-[3-[[5-[(4-propylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

What is the SMILES notation for ethyl 7-[3-[[5-[(4-propylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The canonical SMILES for ethyl 7-[3-[[5-[(4-propylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCCc1ccc(OCc2ccc(C(=O)Nc3cccc(-c4ccnc5c(C(=O)OCC)cnn45)c3)o2)cc1.

What is the InChIKey of ethyl 7-[3-[[5-[(4-propylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The InChIKey is LQRCDKWMZDLUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O5/c1-3-6-20-9-11-23(12-10-20)38-19-24-13-14-27(39-24)29(35)33-22-8-5-7-21(17-22)26-15-16-31-28-25(18-32-34(26)28)30(36)37-4-2/h5,7-18H,3-4,6,19H2,1-2H3,(H,33,35).

What are the key properties of ethyl 7-[3-[[5-[(4-propylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

ethyl 7-[3-[[5-[(4-propylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 524.58 g/mol, XLogP of 5.95, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 7-[3-[[5-[(4-propylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 19454653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).